Chemical ID: 4258645

CCC(=O)C1CCCCC1=O
Chemical ID:
4258645
Name [?]:
2-propanoylcyclohexan-1-one
SMILES [?]:
CCC(=O)C1CCCCC1=O
InChi [?]:
InChI=1/C9H14O2/c1-2-8(10)7-5-3-4-6-9(7)11/h7H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,5,3,10,4,11/rA:11cCCCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.8913
Area:316.327
Solvation:-3.01687
Coulombic:-13.311
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.206
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.6
LogP (Chemaxon):2.5

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Descriptor Annotations

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